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MMsINC code: MMs02851258

Type: Neutral
Formula: C₁₂H₁₀O₃

SMILES:

o1cc(cc1Cc1ccccc1)C(O)=O

InChI:

InChI=1/C12H10O3/c13-12(14)10-7-11(15-8-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.9589 kcal/mol

Physical Properties
Molecular Weight: 202.209 g/mol	logS: -2.90878	SlogP: 2.56857	Reactive groups: 0

Topological Properties
Globularity: 0.135133	Sterimol/B1: 2.15501	Sterimol/B2: 3.47017	Sterimol/B3: 4.26148
Sterimol/B4: 4.97034	Sterimol/L: 12.9096

Surface and Volume Properties
Accessible surface: 412.547	Positive charged surface: 216.935	Negative charged surface: 195.611	Volume: 194.5
Hydrophobic surface: 303.36	Hydrophilic surface: 109.187

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02851259
PUBCHEM-ZINC02014808